CID 119098587

Methyl n-(3-hydroxypropyl)-n-methylcarbamate

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CN(CCCO)C(=O)OC

InChI

InChI=1S/C6H13NO3/c1-7(4-3-5-8)6(9)10-2/h8H,3-5H2,1-2H3

InChIKey

ZOZILPSQKJNDDE-UHFFFAOYSA-N

Compound name

methyl N-(3-hydroxypropyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.08954 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.096816	131.5
[M+Na]+	170.078758	137.8
[M-H]-	146.082264	132.0
[M+NH4]+	165.123363	152.7
[M+K]+	186.052698	139.3
[M+H-H2O]+	130.086800	126.4
[M+HCOO]-	192.087741	155.3
[M+CH3COO]-	206.103391	177.4
[M+Na-2H]-	168.064206	136.3
[M]+	147.08899142	134.2
[M]-	147.09008858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe